Geometry & MOs

Info

ID:	404913
PubChem CID:	135071706
Reduced:	NSO4H39C42 (1)
Stoich.:	ABC4D39E42 (1)
Weight, g/mol:	1030.79886
ΔH_f, kcal/mol:	11.23
Dipole, Da:	6.31
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)[C@@H](CC2=CC=CC=C2)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)OC(=O)CCC5=CC=CC=C5

DOS

IR

Vibrations